2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide

C22H22N4O2 — CID 109297996

IUPAC2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1ccnc(NC2CCCC2)n1
InChIInChI=1S/C22H22N4O2/c27-21(20-14-15-23-22(26-20)25-16-6-4-5-7-16)24-17-10-12-19(13-11-17)28-18-8-2-1-3-9-18/h1-3,8-16H,4-7H2,(H,24,27)(H,23,25,26)
InChIKeyLIFVYTZQIMLXFA-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.88
Rot. Bonds6

About 2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide

2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109297996) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109297996
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1ccnc(NC2CCCC2)n1
InChIInChI=1S/C22H22N4O2/c27-21(20-14-15-23-22(26-20)25-16-6-4-5-7-16)24-17-10-12-19(13-11-17)28-18-8-2-1-3-9-18/h1-3,8-16H,4-7H2,(H,24,27)(H,23,25,26)
InChIKeyLIFVYTZQIMLXFA-UHFFFAOYSA-N
XLogP4.88
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109311475
2-(cyclopentylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109298011
N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297982
N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298724
2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298018
N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311519
N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297953
5-(cyclopropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109180189
2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide
CID 109298731
2-(furan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109303381
2-(cyclopentylamino)pyrimidine-4-carboxylic acid
CID 91076843
N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298721

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide (CID 109297996) is 2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccnc(NC2CCCC2)n1.
What is the InChIKey of 2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is LIFVYTZQIMLXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21(20-14-15-23-22(26-20)25-16-6-4-5-7-16)24-17-10-12-19(13-11-17)28-18-8-2-1-3-9-18/h1-3,8-16H,4-7H2,(H,24,27)(H,23,25,26).
What are the key properties of 2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide?
2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109297996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).